4-(disulfanyl)morpholine

C4H9NOS2 — CID 20975445

IUPAC4-(disulfanyl)morpholine
SMILESSSN1CCOCC1
InChIInChI=1S/C4H9NOS2/c7-8-5-1-3-6-4-2-5/h7H,1-4H2
InChIKeyXJWZNNJDFUWGIM-UHFFFAOYSA-N
MW151.26 g/mol
LogP0.81
Rot. Bonds1

About 4-(disulfanyl)morpholine

4-(disulfanyl)morpholine (PubChem CID 20975445) has the molecular formula C4H9NOS2 and a molecular weight of 151.26 g/mol. Its IUPAC name is 4-(disulfanyl)morpholine.

Molecular Properties

Compound Name4-(disulfanyl)morpholine
PubChem CID20975445
Molecular FormulaC4H9NOS2
Molecular Weight151.26 g/mol
Exact Mass151.01
IUPAC Name4-(disulfanyl)morpholine
SMILESSSN1CCOCC1
InChIInChI=1S/C4H9NOS2/c7-8-5-1-3-6-4-2-5/h7H,1-4H2
InChIKeyXJWZNNJDFUWGIM-UHFFFAOYSA-N
XLogP0.81
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(disulfanyl)morpholine?
The IUPAC name of 4-(disulfanyl)morpholine (CID 20975445) is 4-(disulfanyl)morpholine.
What is the SMILES notation for 4-(disulfanyl)morpholine?
The canonical SMILES for 4-(disulfanyl)morpholine is SSN1CCOCC1.
What is the InChIKey of 4-(disulfanyl)morpholine?
The InChIKey is XJWZNNJDFUWGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS2/c7-8-5-1-3-6-4-2-5/h7H,1-4H2.
What are the key properties of 4-(disulfanyl)morpholine?
4-(disulfanyl)morpholine has a molecular weight of 151.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)morpholine is sourced from PubChem (CID 20975445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).